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3-icosan-8-yl-2-iodanyl-benzenesulfonic acid

3-icosan-8-yl-2-iodanyl-benzenesulfonic acid

Systemtic Name:3-icosan-8-yl-2-iodanyl-benzenesulfonic acid
Openeye Name:3-(1-heptyltridecyl)-2-iodo-benzenesulfonic acid
CAS Name:3-eicosan-8-yl-2-iodobenzenesulfonic acid
IUPAC Name:3-icosan-8-yl-2-iodobenzenesulfonic acid
Traditional Name:3-(1-heptyltridecyl)-2-iodo-besylic acid
Formula: C26H45IO3S
MolecularWeight: 564.60317
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCCCCC)C1=C(C(=CC=C1)S(=O)(=O)O)I


Isomeric SMILES

CCCCCCCCCCCCC(CCCCCCC)C1=C(C(=CC=C1)S(=O)(=O)O)I


InChI

InChI=1S/C26H45IO3S/c1-3-5-7-9-10-11-12-13-15-17-20-23(19-16-14-8-6-4-2)24-21-18-22-25(26(24)27)31(28,29)30/h18,21-23H,3-17,19-20H2,1-2H3,(H,28,29,30)


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